Updated for v1.20.0 release

conda/meta.yaml

@@ -27,27 +27,30 @@ build:
 requirements:
   build:
     - python
+    - pip
     - numpy
     - scipy
-    - matplotlib
+    - matplotlib-base
     - pyyaml
     - h5py
     - phonopy
     - openblas
     - libgfortran-ng
     - setuptools
-    - nose
+    - spglib
 
   run:
     - python
+    - pip
     - numpy
     - scipy
-    - matplotlib
+    - matplotlib-base
     - pyyaml
     - h5py
     - phonopy
     - openblas
     - libgfortran-ng
+    - spglib
 
 test:
   # Python imports

doc/changelog.rst

@@ -3,6 +3,15 @@
 Change Log
 ==========
 
+Mar-3-2020: Version 1.20.0
+--------------------------
+
+- ``phono3py_disp.yaml`` is made when creating displacements in
+  addition to ``disp_fc3.yaml`` and
+  ``disp_fc2.yaml``. ``phono3py_disp.yaml`` will be used instead of
+  ``disp_fc3.yaml`` and ``disp_fc2.yaml`` in the future major release
+  (v2.0).
+
 Mar-3-2020: Version 1.19.1
 --------------------------
 

doc/conf.py

@@ -49,9 +49,9 @@ copyright = u'2015, Atsushi Togo'
 # built documents.
 #
 # The short X.Y version.
-version = '1.19'
+version = '1.20'
 # The full version, including alpha/beta/rc tags.
-release = '1.19.1'
+release = '1.20.0'
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.

example/AlN-LDA/README

@@ -11,7 +11,7 @@ with the similar shift was used.
 
 Perfect and displaced supercells were created by
 
-% phono3py --dim="3 3 2" --dim_fc2="5 5 3" -c POSCAR-unitcell -d
+% phono3py --dim="3 3 2" --dim-fc2="5 5 3" -c POSCAR-unitcell -d
 
 Then the forces were calculated with the above settings. FORCES_FC3
 and FORCES_FC2 were created with subtracting residual forces of

example/Si-PBEsol/README

@@ -19,7 +19,7 @@ The plot of this result is shown in Si-kaccum.png. It is found that most of the
 fc2.hdf5 can be read by harmonic phonopy to rename it to force_constants.hdf5. The phonon band structure and DOS are watched by
 
 % cp fc2.hdf5 force_constants.hdf5
-% phonopy --dim="2 2 2" --pa="0 1/2 1/2 1/2 0 1/2 1/2 1/2 0" -c POSCAR-unitcell --mesh="19 19 19" --band="1/2 1/2 0 0 0 0 1/2 1/2 1/2" --hdf5 --readfc --thm -p
+% phonopy --dim="2 2 2" --pa="0 1/2 1/2 1/2 0 1/2 1/2 1/2 0" -c POSCAR-unitcell --mesh="19 19 19" --band="1/2 1/2 0 0 0 0 1/2 1/2 1/2" --hdf5 --readfc -p
 
 Si-band-DOS.png shows this plot. The shape of phonon DOS below 6 THz is similar to the derivative of the accumulated lattice thermal conductivity, i.e., the heat is conductied by the low frequency longitudinal-acoustic-like modes.
 

setup.py

@@ -324,9 +324,7 @@ if __name__ == '__main__':
                                 'h5py', 'spglib', 'phonopy>=2.7,<2.8'],
               provides=['phono3py'],
               scripts=scripts_phono3py,
-              ext_modules=[extension_lapackepy, extension_phono3py],
-              test_suite='nose.collector',
-              tests_require=['nose'])
+              ext_modules=[extension_lapackepy, extension_phono3py])
     else:
         setup(name='phono3py',
               version=version,
@@ -339,6 +337,4 @@ if __name__ == '__main__':
                         'phonopy', 'spglib'],
               provides=['phono3py'],
               scripts=scripts_phono3py,
-              ext_modules=[extension_lapackepy, extension_phono3py],
-              test_suite='nose.collector',
-              tests_require=['nose'])
+              ext_modules=[extension_lapackepy, extension_phono3py])